UCSF

ZINC19833297

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.04 4.69 -60.88 4 5 1 83 265.312 6
Mid Mid (pH 6-8) 0.04 2.28 -14.38 3 5 0 82 264.304 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )